Geometry & MOs

Info

ID:	143011
PubChem CID:	53131678
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-46.52
Dipole, Da:	5.91
IP(EA), eV:	-8.53(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2C=C(C3=C2C(=O)N(C=N3)CCCOC)C4=CC=CC=C4

DOS

IR

Vibrations